CHEBI:203526 - Monaphilone A

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ChEBI Name Monaphilone A
ChEBI ID CHEBI:203526
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H32O4
Net Charge 0
Average Mass 360.494
Monoisotopic Mass 360.23006
InChI InChI=1S/C22H32O4/c1-4-6-7-8-9-11-18(23)14-17-12-16-13-19(10-5-2)26-15-20(16)21(24)22(17,3)25/h5,10,13,17,25H,4,6-9,11-12,14-15H2,1-3H3/b10-5+/t17-,22-/m1/s1
InChIKey KEBWHEAOCGBCRK-KCRKHPKBSA-N
SMILES O=C1C2=C(C=C(/C=C/C)OC2)C[C@@H]([C@]1(O)C)CC(=O)CCCCCCC
Metabolite of Species Details
Monascus (NCBI:txid5097) See: PubMed
ChEBI Ontology
Outgoing Monaphilone A (CHEBI:203526) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(6R,7R)-7-hydroxy-7-methyl-6-(2-oxononyl)-3-[(E)-prop-1-enyl]-5,6-dihydro-1H-isochromen-8-one
Manual Xref Database
78440949 ChemSpider
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